Geometry & MOs

Info

ID:

313504

PubChem CID:

126615161

Reduced:

SN2F4O5C25H28 (1)

Stoich.:

AB2C4D5E25F28 (1)

Weight, g/mol:

640.337319

ΔHf, kcal/mol:

-349.67

Dipole, Da:

1.22

IP(EA), eV:

 -7.42(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-N-ethyl-4-[4-[4-(4-hydroxy-3,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]-5-(4-hydroxy-6-oxo-3-propan-2-ylcyclohexa-2,4-dien-1-ylidene)-N-propan-2-yl-1H-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CS(C)(C)C1=C(C=C(C=C1F)NC(=O)[C@H]2C3=C(CCN2C(=O)CCC(=O)O)C=C(C=C3)OCC(F)F)F

DOS

IR

Vibrations